[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C19H22N4O5 — CID 135401281

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)NC(=O)NC1CCCC1
InChIInChI=1S/C19H22N4O5/c24-16(23-19(27)20-12-5-1-2-6-12)11-28-17(25)10-9-15-21-14-8-4-3-7-13(14)18(26)22-15/h3-4,7-8,12H,1-2,5-6,9-11H2,(H,21,22,26)(H2,20,23,24,27)
InChIKeyZXOBOADQPRXLEV-UHFFFAOYSA-N
MW386.41 g/mol
LogP1.17
Rot. Bonds6

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135401281) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135401281
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)NC(=O)NC1CCCC1
InChIInChI=1S/C19H22N4O5/c24-16(23-19(27)20-12-5-1-2-6-12)11-28-17(25)10-9-15-21-14-8-4-3-7-13(14)18(26)22-15/h3-4,7-8,12H,1-2,5-6,9-11H2,(H,21,22,26)(H2,20,23,24,27)
InChIKeyZXOBOADQPRXLEV-UHFFFAOYSA-N
XLogP1.17
TPSA130.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl N-[3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanoyl]-L-Phenylalaninate
CID 135566846
[2-(Tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2482812
N-Cyclopentyl-2-(4-oxo-3,4-dihydro-quinazolin-2-ylmethoxy)-acetamide
CID 135427723
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135443851
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135444191
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135500583
(2-anilino-2-oxoethyl) 3-(4-oxo-1H-quinazolin-2-yl)propanoate
CID 135811370
[2-(2-Methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2570450
[2-(Benzylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 4783201
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135510173
[2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135775999
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(1-methyl-4-oxoquinazolin-2-yl)propanoate
CID 2483422

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135401281) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is ZXOBOADQPRXLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c24-16(23-19(27)20-12-5-1-2-6-12)11-28-17(25)10-9-15-21-14-8-4-3-7-13(14)18(26)22-15/h3-4,7-8,12H,1-2,5-6,9-11H2,(H,21,22,26)(H2,20,23,24,27).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 386.41 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135401281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).